2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine

C16H22F2N2 — CID 105409978

IUPAC2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)cc(F)c2)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-16(2)10-20(15(8-19-16)12-3-4-12)9-11-5-13(17)7-14(18)6-11/h5-7,12,15,19H,3-4,8-10H2,1-2H3
InChIKeyLOWKSLRZVQUOIV-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.93
Rot. Bonds3

About 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine

2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine (PubChem CID 105409978) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
PubChem CID105409978
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)cc(F)c2)C(C2CC2)CN1
InChIInChI=1S/C16H22F2N2/c1-16(2)10-20(15(8-19-16)12-3-4-12)9-11-5-13(17)7-14(18)6-11/h5-7,12,15,19H,3-4,8-10H2,1-2H3
InChIKeyLOWKSLRZVQUOIV-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine (CID 105409978) is 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine is CC1(C)CN(Cc2cc(F)cc(F)c2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
The InChIKey is LOWKSLRZVQUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-16(2)10-20(15(8-19-16)12-3-4-12)9-11-5-13(17)7-14(18)6-11/h5-7,12,15,19H,3-4,8-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine?
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine has a molecular weight of 280.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine is sourced from PubChem (CID 105409978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).